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{
"id": "jvasp-50629",
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{
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"structure_string": "Mg3 Ti1 H8\n1.0\n4.612997 -0.000000 0.000000\n0.000000 4.612997 0.000000\n-0.000000 -0.000000 4.612997\nMg Ti H\n3 1 8\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.244118 0.244118 0.755883 H\n0.244118 0.755883 0.244118 H\n0.755883 0.244118 0.244118 H\n0.755883 0.755883 0.755883 H\n0.755883 0.755883 0.244118 H\n0.755883 0.244118 0.755883 H\n0.244118 0.755883 0.755883 H\n0.244118 0.244118 0.244118 H\n",
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{
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"structure_string": "Ca2 C4\n1.0\n3.764497 0.000000 0.000000\n0.000000 4.869180 0.000000\n0.000000 0.000000 5.329022\nCa C\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.871313 0.500002 C\n0.500000 0.628687 0.000002 C\n0.500000 0.371313 -0.000002 C\n0.000000 0.128687 0.499998 C\n",
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{
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"updated_at": "2022-09-04T14:37:05.870671Z",
"structure_string": "Mg1 Be2 B1\n1.0\n-0.000000 2.725649 2.725649\n2.725649 -0.000000 2.725649\n2.725649 2.725649 0.000000\nMg Be B\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Be\n0.500000 0.500000 0.500000 B\n",
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{
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"created_at": "2022-09-04T14:38:19.433053Z",
"updated_at": "2022-09-04T14:38:19.433083Z",
"structure_string": "Ca4 C8\n1.0\n-4.068356 -0.152072 -0.110478\n-0.328102 -6.677201 -0.395799\n1.466479 2.673487 7.399049\nCa C\n4 8\ndirect\n0.750024 0.499970 0.250006 Ca\n0.249977 0.500029 0.749994 Ca\n0.749943 0.000031 0.749996 Ca\n0.250058 -0.000032 0.250004 Ca\n0.314589 0.249614 0.935697 C\n0.685412 0.750385 0.064303 C\n0.185356 0.250384 0.064295 C\n0.814644 0.749615 0.935705 C\n0.185250 0.750472 0.564290 C\n0.814750 0.249527 0.435710 C\n0.314728 0.749528 0.435715 C\n0.685273 0.250472 0.564285 C\n",
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{
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"created_at": "2022-09-04T14:36:33.431049Z",
"updated_at": "2022-09-04T14:36:33.431076Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.607267 -0.225306 -1.100287\n-1.919357 4.137696 -0.078208\n-0.381842 0.172862 8.069545\nZn H C O\n1 6 5 4\ndirect\n0.108885 0.444704 0.244551 Zn\n0.607601 0.845693 0.601621 H\n0.609489 0.170758 0.719807 H\n0.068374 0.450568 0.638371 H\n0.261717 0.362930 0.930628 H\n0.062725 0.761585 0.761375 H\n0.629001 0.572669 0.868300 H\n0.252380 -0.000989 0.468627 C\n0.449216 0.937015 0.635952 C\n0.227469 0.677684 0.728337 C\n0.424447 0.597140 0.893935 C\n0.568719 0.865827 0.043459 C\n0.017486 0.758760 0.359025 O\n0.331705 0.301188 0.446831 O\n0.822517 0.133955 0.037476 O\n0.440976 0.834566 0.165332 O\n",
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{
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"structure_string": "Na1 Be1 Cl2\n1.0\n-2.402589 2.402589 3.397907\n2.402589 -2.402589 3.397907\n2.402589 2.402589 -3.397907\nNa Be Cl\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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{
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"structure_string": "Li12 B4 O12\n1.0\n3.236434 -0.005135 0.000000\n-1.592621 8.183737 0.000000\n0.000000 0.000000 9.171824\nLi B O\n12 4 12\ndirect\n0.506536 0.982890 0.768524 Li\n0.493464 0.517112 0.268525 Li\n0.493464 0.017111 0.231475 Li\n0.506536 0.482889 0.731475 Li\n0.723698 0.888174 0.523639 Li\n0.276301 0.611827 0.023639 Li\n0.276301 0.111827 0.476360 Li\n0.723698 0.388174 0.976360 Li\n0.091578 0.631987 0.572425 Li\n0.908422 0.868014 0.072425 Li\n0.908422 0.368015 0.427574 Li\n0.091578 0.131987 0.927574 Li\n0.801116 0.245101 0.686800 B\n0.198884 0.254900 0.186800 B\n0.198884 0.754900 0.313200 B\n0.801116 0.745101 0.813200 B\n0.969827 0.900776 0.862392 O\n0.030173 0.599225 0.362393 O\n0.030172 0.099225 0.137607 O\n0.969827 0.400776 0.637607 O\n0.772464 0.611062 0.905556 O\n0.227536 0.888939 0.405556 O\n0.227536 0.388939 0.094444 O\n0.772464 0.111062 0.594443 O\n0.636198 0.720606 0.672170 O\n0.363802 0.779395 0.172170 O\n0.363802 0.279395 0.327830 O\n0.636198 0.220606 0.827829 O\n",
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"structure_string": "Li3 As1\n1.0\n5.368963 0.000000 -0.000000\n-2.684481 4.649658 0.000000\n0.000000 -0.000000 2.924126\nLi As\n3 1\ndirect\n0.500022 0.000000 0.000000 Li\n1.000000 0.500023 0.000000 Li\n0.499977 0.499978 0.000000 Li\n0.000000 0.000000 0.000000 As\n",
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{
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"structure_string": "Na1 Mg6 Ni1\n1.0\n6.510806 -0.191421 0.000000\n-3.421179 5.542812 0.000000\n0.000000 0.000000 4.895492\nNa Mg Ni\n1 6 1\ndirect\n0.318985 0.181015 0.750000 Na\n0.177001 0.809142 0.250000 Mg\n0.690858 0.322999 0.250000 Mg\n0.676602 0.823398 0.250000 Mg\n0.325723 0.648742 0.750000 Mg\n0.851259 0.174277 0.750000 Mg\n0.835763 0.664237 0.750000 Mg\n0.123808 0.376192 0.250000 Ni\n",
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{
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"structure_string": "Na4 P4 H8 O16\n1.0\n6.357498 0.019735 -1.987501\n-1.210324 9.146829 -2.233826\n-0.047198 -0.018228 6.311331\nNa P H O\n4 4 8 16\ndirect\n0.166719 0.869081 0.572866 Na\n0.833282 0.130919 0.427134 Na\n0.444763 0.591440 0.759748 Na\n0.555238 0.408561 0.240251 Na\n0.722386 0.911074 0.746925 P\n0.277614 0.088927 0.253075 P\n0.097831 0.784128 0.010833 P\n0.902170 0.215873 0.989167 P\n0.873798 0.569174 0.667240 H\n0.787971 0.425416 0.707872 H\n0.212030 0.574584 0.292128 H\n0.126203 0.430827 0.332760 H\n0.808677 0.651420 0.169576 H\n0.337398 0.267456 0.709105 H\n0.662602 0.732544 0.290894 H\n0.191324 0.348580 0.830424 H\n0.338671 0.357097 0.826302 O\n0.661330 0.642903 0.173698 O\n0.716174 0.077259 0.888876 O\n0.283826 0.922741 0.111124 O\n0.876267 0.304063 0.207603 O\n0.123734 0.695938 0.792397 O\n0.906882 0.284876 0.799789 O\n0.491174 0.172815 0.318136 O\n0.508826 0.827185 0.681863 O\n0.176167 0.084108 0.434325 O\n0.823833 0.915893 0.565674 O\n0.118029 0.141072 0.042445 O\n0.881971 0.858929 0.957555 O\n0.739917 0.508720 0.644081 O\n0.093118 0.715124 0.200211 O\n0.260083 0.491281 0.355919 O\n",
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]
}